5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C15H24N6O2 — CID 124749327

IUPAC5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCCc1n[nH]c(CN2CCC[C@H](c3nc(CCOC)no3)C2)n1
InChIInChI=1S/C15H24N6O2/c1-3-12-16-14(19-18-12)10-21-7-4-5-11(9-21)15-17-13(20-23-15)6-8-22-2/h11H,3-10H2,1-2H3,(H,16,18,19)/t11-/m0/s1
InChIKeyAJBWHGXVOXCFRN-NSHDSACASA-N
MW320.40 g/mol
LogP1.32
Rot. Bonds7

About 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 124749327) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID124749327
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCCc1n[nH]c(CN2CCC[C@H](c3nc(CCOC)no3)C2)n1
InChIInChI=1S/C15H24N6O2/c1-3-12-16-14(19-18-12)10-21-7-4-5-11(9-21)15-17-13(20-23-15)6-8-22-2/h11H,3-10H2,1-2H3,(H,16,18,19)/t11-/m0/s1
InChIKeyAJBWHGXVOXCFRN-NSHDSACASA-N
XLogP1.32
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 124749327) is 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is CCc1n[nH]c(CN2CCC[C@H](c3nc(CCOC)no3)C2)n1.
What is the InChIKey of 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is AJBWHGXVOXCFRN-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N6O2/c1-3-12-16-14(19-18-12)10-21-7-4-5-11(9-21)15-17-13(20-23-15)6-8-22-2/h11H,3-10H2,1-2H3,(H,16,18,19)/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 124749327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).